1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

C19H31F — CID 140599571

IUPAC1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(/C=C/F)CC2)CC1
InChIInChI=1S/C19H31F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,14-19H,4-13H2,1H3/b3-2+,15-14+
InChIKeyOSIUQUDAMHSBCZ-UKQKUJQNSA-N
MW278.45 g/mol
LogP6.44
Rot. Bonds5

About 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane

1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (PubChem CID 140599571) has the molecular formula C19H31F and a molecular weight of 278.45 g/mol. Its IUPAC name is 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
PubChem CID140599571
Molecular FormulaC19H31F
Molecular Weight278.45 g/mol
Exact Mass278.24
IUPAC Name1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/CCC1CCC(C2CCC(/C=C/F)CC2)CC1
InChIInChI=1S/C19H31F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,14-19H,4-13H2,1H3/b3-2+,15-14+
InChIKeyOSIUQUDAMHSBCZ-UKQKUJQNSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.45
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane (CID 140599571) is 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is C/C=C/CCC1CCC(C2CCC(/C=C/F)CC2)CC1.
What is the InChIKey of 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
The InChIKey is OSIUQUDAMHSBCZ-UKQKUJQNSA-N. The full InChI is InChI=1S/C19H31F/c1-2-3-4-5-16-6-10-18(11-7-16)19-12-8-17(9-13-19)14-15-20/h2-3,14-19H,4-13H2,1H3/b3-2+,15-14+.
What are the key properties of 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane?
1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane has a molecular weight of 278.45 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 140599571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).